IBS-ZINC05164812 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 1 0 0 0 0 0999 V2000 -0.1550 1.6410 -0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 0.1160 -0.3860 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2900 -0.1690 -1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 -0.4720 0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -0.1180 2.0890 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0740 0.9650 2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 -0.6530 2.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1230 -0.0600 1.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5610 -0.4260 -0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4590 -0.4220 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4420 0.5480 1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7700 0.1380 1.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0540 -1.1590 1.2770 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0920 -2.0540 1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8190 -1.7000 1.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4280 -3.3930 1.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8310 -3.8050 1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3790 -4.3990 0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7820 1.0680 1.5490 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0840 1.9800 1.3960 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.0320 2.6680 0.3920 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8410 2.4710 2.4840 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9000 -0.7520 3.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 2.0260 -0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 2.0590 -1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5790 1.9250 0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 -1.5560 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 -0.0560 0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 -1.7370 2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8070 -0.3900 3.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1740 0.0020 -1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 -1.5110 -0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3970 -3.3340 0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8980 -4.8890 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2420 -3.4980 2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 -4.7430 1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7800 -5.2430 0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5470 -3.9590 0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5670 2.0120 1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7050 0.7760 1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 -0.3730 3.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4480 -0.5000 4.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9100 -1.8350 3.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END